SCHEMBL4170185

SCHEMBL4170185

Oc1cccc(NCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.62
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
FFAR1 O14842 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
BLM P54132 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 1/20 0.49
METAP2 P50579 1/20 0.49
TP53 P04637 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11510145 0.90 HIF1A (0.64) HIF1ACYP3A4TSHRBCHEACHE
SCHEMBL11511619 0.90 FFAR1 (0.61) HIF1ACYP3A4TSHRFFAR1BCHE
SCHEMBL11511829 0.89 MEN1 (0.55) HIF1ACYP3A4TSHRBCHEACHE
SCHEMBL4699374 0.89 HIF1A (0.77) HIF1ACYP3A4TSHRKMT2AMEN1
SCHEMBL6690772 0.86 HTT (0.57) CYP3A4FFAR1KMT2AMEN1METAP2
SCHEMBL11511650 0.85 HIF1A (0.54) HIF1ACYP3A4TSHRBCHEACHE
SCHEMBL11510198 0.84 HTT (0.52) HIF1AFFAR1KMT2AMEN1GAA
SCHEMBL5452615 0.84 MAOB (0.64) HIF1ABCHEACHEKMT2AMEN1
SCHEMBL1966732 0.84 NLRP3 (0.59) HIF1AFFAR1BCHEACHEKMT2A
SCHEMBL8085499 0.81 L3MBTL1 (0.63) HIF1ACYP3A4TSHRKMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO claimed
JP-57190049-A None JP disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 US disclosed
CN-104277051-B 4 aminothiophenes simultaneously [3,2 C] carboxylic acid derivates of pyridine 7 霍夫曼-拉罗奇有限公司 2017-06-09 CN disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
EP-3004073-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES Université catholique de Louvain (BE) 2016-04-13 EP disclosed
US-5484900-A METALLIZED DYES FOR LEATHER, WOOL, SILK OR SYNTHETIC SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
EP-0360014-B1 Photosensitive material and image forming method using same CANON KK (JP) 1996-01-03 EP disclosed
US-5415974-A Silver halide, organic silver salt, polymerizable compound, heat-diffusing dye CANON KABUSHIKI KAISHA (JP) 1995-05-16 US disclosed
EP-0613928-A1 1:2 chromium complex dyes BAYER AG (DE) 1994-09-07 EP disclosed
EP-0360014-A1 Photosensitive material and image forming method using same CANON KABUSHIKI KAISHA (JP) 1990-03-28 EP disclosed
JP-S57190049-A FLUORAN COMPOUND, ITS PREPARATION, AND COLOR-DEVELOPING RECORDING MATERIAL CONTAINING THE SAME YAMADA KAGAKU KOGYO KK 1982-11-22 JP disclosed
US-4200753-A Water-soluble fluorescing and lasing dyes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-04-29 US disclosed
US-RE30199-E Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 US disclosed
US-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 US disclosed
US-4003699-A Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL & CIE G.M.B.H. (DT) 1977-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR HIF1A 1321/4885CYP3A4 739/4885TSHR 2808/4885
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES SLC16A3, SLC16A1, SLC16A8 HIF1A 362/4885CYP3A4 141/4885TSHR 4637/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR HIF1A 1321/4885CYP3A4 739/4885TSHR 2808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.